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	hartrees
Energy at 0K	-167.566228
Energy at 298.15K	-167.566101
HF Energy	-167.125878
Nuclear repulsion energy	51.487296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1976	1861	33.56
2	Σ	1284	1209	5.94
3	Π	545	513	14.86
3	Π	485	457	38.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.278
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.150

	N1	C2	O3
N1		1.2364	2.4284
C2	1.2364		1.1920
O3	2.4284	1.1920

All results from a given calculation for NCO (isocyanato radical)

using model chemistry: QCISD/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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